2-ethoxyethyl 2H-quinoline-1-carboxylate

C14H17NO3 — CID 18677055

IUPAC2-ethoxyethyl 2H-quinoline-1-carboxylate
SMILESCCOCCOC(=O)N1CC=Cc2ccccc21
InChIInChI=1S/C14H17NO3/c1-2-17-10-11-18-14(16)15-9-5-7-12-6-3-4-8-13(12)15/h3-8H,2,9-11H2,1H3
InChIKeyFEIYMGHYGZJZCP-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.69
Rot. Bonds4

About 2-ethoxyethyl 2H-quinoline-1-carboxylate

2-ethoxyethyl 2H-quinoline-1-carboxylate (PubChem CID 18677055) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-ethoxyethyl 2H-quinoline-1-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 2H-quinoline-1-carboxylate
PubChem CID18677055
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-ethoxyethyl 2H-quinoline-1-carboxylate
SMILESCCOCCOC(=O)N1CC=Cc2ccccc21
InChIInChI=1S/C14H17NO3/c1-2-17-10-11-18-14(16)15-9-5-7-12-6-3-4-8-13(12)15/h3-8H,2,9-11H2,1H3
InChIKeyFEIYMGHYGZJZCP-UHFFFAOYSA-N
XLogP2.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2H-quinoline-1-carboxylate?
The IUPAC name of 2-ethoxyethyl 2H-quinoline-1-carboxylate (CID 18677055) is 2-ethoxyethyl 2H-quinoline-1-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 2H-quinoline-1-carboxylate?
The canonical SMILES for 2-ethoxyethyl 2H-quinoline-1-carboxylate is CCOCCOC(=O)N1CC=Cc2ccccc21.
What is the InChIKey of 2-ethoxyethyl 2H-quinoline-1-carboxylate?
The InChIKey is FEIYMGHYGZJZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-17-10-11-18-14(16)15-9-5-7-12-6-3-4-8-13(12)15/h3-8H,2,9-11H2,1H3.
What are the key properties of 2-ethoxyethyl 2H-quinoline-1-carboxylate?
2-ethoxyethyl 2H-quinoline-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2H-quinoline-1-carboxylate is sourced from PubChem (CID 18677055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).